methyl 2-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(1,1-dioxothiolan-3-yl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-(1,1-dioxo-3-thiolanyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(1,1-dioxothiolan-3-yl)-5-thiophen-2-ylpyrazole-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(1,1-diketothiolan-3-yl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]benzoic acid methyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=C2)C3=CC=CS3)C4CCS(=O)(=O)C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=C2)C3=CC=CS3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H19N3O5S2/c1-28-20(25)14-5-2-3-6-15(14)21-19(24)16-11-17(18-7-4-9-29-18)23(22-16)13-8-10-30(26,27)12-13/h2-7,9,11,13H,8,10,12H2,1H3,(H,21,24)